(2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid

C9H16N2O2 — CID 88766045

IUPAC(2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid
SMILESCC/C=C/CCN/N=C(/C)C(=O)O
InChIInChI=1S/C9H16N2O2/c1-3-4-5-6-7-10-11-8(2)9(12)13/h4-5,10H,3,6-7H2,1-2H3,(H,12,13)/b5-4+,11-8-
InChIKeyFRHFHOUXONAWCG-LSHNQJRFSA-N
MW184.24 g/mol
LogP1.39
Rot. Bonds6

About (2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid

(2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid (PubChem CID 88766045) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid
PubChem CID88766045
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid
SMILESCC/C=C/CCN/N=C(/C)C(=O)O
InChIInChI=1S/C9H16N2O2/c1-3-4-5-6-7-10-11-8(2)9(12)13/h4-5,10H,3,6-7H2,1-2H3,(H,12,13)/b5-4+,11-8-
InChIKeyFRHFHOUXONAWCG-LSHNQJRFSA-N
XLogP1.39
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(propylhydrazinylidene)propanoic acid
CID 73183649
acetic acid;(Z)-hex-3-ene
CID 87142970
(2Z)-2-[2-(2-ethoxyethoxy)ethylhydrazinylidene]propanoic acid
CID 88624650
2-hex-3-enyl-3-methylbut-2-enedioic acid
CID 175540472
2-methylprop-2-enoic acid;oct-3-ene
CID 155128147
N-nona-2,6-dienylacetamide
CID 73018180
hept-4-enoic acid;hydrochloride
CID 143782457
acetic acid;(Z)-dec-3-ene
CID 174912778
(Z)-hex-3-ene;propanoic acid
CID 174827236
carbamic acid;(Z)-hex-3-ene
CID 158256779
carbamic acid;hex-3-ene
CID 175321124
acetic acid;[(Z)-hex-3-enyl] acetate
CID 87304527

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid?
The IUPAC name of (2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid (CID 88766045) is (2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid.
What is the SMILES notation for (2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid?
The canonical SMILES for (2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid is CC/C=C/CCN/N=C(/C)C(=O)O.
What is the InChIKey of (2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid?
The InChIKey is FRHFHOUXONAWCG-LSHNQJRFSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-4-5-6-7-10-11-8(2)9(12)13/h4-5,10H,3,6-7H2,1-2H3,(H,12,13)/b5-4+,11-8-.
What are the key properties of (2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid?
(2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid has a molecular weight of 184.24 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid is sourced from PubChem (CID 88766045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).